Home Carboxys Tetrahydrothiophene-3-carboxylic acid 1,1-dioxide

Tetrahydrothiophene-3-carboxylic acid 1,1-dioxide

CAS No.:
4785-67-5
Catalog Number:
AG006YOC
Molecular Formula:
C5H8O4S
Molecular Weight:
164.1796
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$113
- +
250mg
95%
In Stock USA
United States
$225
- +
1g
95%
In Stock USA
United States
$226
- +
5g
95%
In Stock USA
United States
$671
- +
Product Description
Catalog Number:
AG006YOC
Chemical Name:
Tetrahydrothiophene-3-carboxylic acid 1,1-dioxide
CAS Number:
4785-67-5
Molecular Formula:
C5H8O4S
Molecular Weight:
164.1796
MDL Number:
MFCD22684985
IUPAC Name:
1,1-dioxothiolane-3-carboxylic acid
InChI:
InChI=1S/C5H8O4S/c6-5(7)4-1-2-10(8,9)3-4/h4H,1-3H2,(H,6,7)
InChI Key:
ASRQWTBGINUTIX-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCS(=O)(=O)C1
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.014g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.175g/mol
Monoisotopic Mass:
164.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties